triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane

C59H41N3Si — CID 177070048

About triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane

triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane (PubChem CID 177070048) has the molecular formula C59H41N3Si and a molecular weight of 840.21 g/mol. Its IUPAC name is triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane
• PubChem CID: 177070048
• Molecular Formula: C59H41N3Si
• Molecular Weight: 840.21 g/mol
• Exact Mass: 839.43
• IUPAC Name: triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane
• SMILES: [2H]c1c([2H])c(-c2cc(-c3ccccc3-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1[2H]
• InChI: InChI=1S/C59H41N3Si/c1-4-22-44(23-5-1)63(45-24-6-2-7-25-45,46-26-8-3-9-27-46)47-28-20-21-42(39-47)53-40-43(41-59(60-53)62-57-37-18-13-32-51(57)52-33-14-19-38-58(52)62)48-29-10-15-34-54(48)61-55-35-16-11-30-49(55)50-31-12-17-36-56(50)61/h1-41H/i11D,12D,13D,14D,16D,17D,18D,19D,20D,21D,28D,30D,31D,32D,33D,35D,36D,37D,38D,39D
• InChIKey: QCTLWYHLNBGIGL-NFRTWYMISA-N
• XLogP: 11.99
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.21
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane?

The IUPAC name of triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane (CID 177070048) is triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane.

What is the SMILES notation for triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane?

The canonical SMILES for triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane is [2H]c1c([2H])c(-c2cc(-c3ccccc3-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)n2)c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1[2H].

What is the InChIKey of triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane?

The InChIKey is QCTLWYHLNBGIGL-NFRTWYMISA-N. The full InChI is InChI=1S/C59H41N3Si/c1-4-22-44(23-5-1)63(45-24-6-2-7-25-45,46-26-8-3-9-27-46)47-28-20-21-42(39-47)53-40-43(41-59(60-53)62-57-37-18-13-32-51(57)52-33-14-19-38-58(52)62)48-29-10-15-34-54(48)61-55-35-16-11-30-49(55)50-31-12-17-36-56(50)61/h1-41H/i11D,12D,13D,14D,16D,17D,18D,19D,20D,21D,28D,30D,31D,32D,33D,35D,36D,37D,38D,39D.

What are the key properties of triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane?

triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane has a molecular weight of 840.21 g/mol, XLogP of 11.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[2,3,4,6-tetradeuterio-5-[6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-4-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2-pyridinyl]phenyl]silane is sourced from PubChem (CID 177070048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).